6-methoxy-7-nitro-2,3-dihydroinden-1-one

C10H9NO4 — CID 11790408

IUPAC6-methoxy-7-nitro-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1[N+](=O)[O-])C(=O)CC2
InChIInChI=1S/C10H9NO4/c1-15-8-5-3-6-2-4-7(12)9(6)10(8)11(13)14/h3,5H,2,4H2,1H3
InChIKeyVJEWECISSPCJAV-UHFFFAOYSA-N
MW207.18 g/mol
LogP1.73
Rot. Bonds2

About 6-methoxy-7-nitro-2,3-dihydroinden-1-one

6-methoxy-7-nitro-2,3-dihydroinden-1-one (PubChem CID 11790408) has the molecular formula C10H9NO4 and a molecular weight of 207.18 g/mol. Its IUPAC name is 6-methoxy-7-nitro-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-methoxy-7-nitro-2,3-dihydroinden-1-one
PubChem CID11790408
Molecular FormulaC10H9NO4
Molecular Weight207.18 g/mol
Exact Mass207.05
IUPAC Name6-methoxy-7-nitro-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1[N+](=O)[O-])C(=O)CC2
InChIInChI=1S/C10H9NO4/c1-15-8-5-3-6-2-4-7(12)9(6)10(8)11(13)14/h3,5H,2,4H2,1H3
InChIKeyVJEWECISSPCJAV-UHFFFAOYSA-N
XLogP1.73
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-nitro-2,3-dihydroinden-1-one?
The IUPAC name of 6-methoxy-7-nitro-2,3-dihydroinden-1-one (CID 11790408) is 6-methoxy-7-nitro-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-methoxy-7-nitro-2,3-dihydroinden-1-one?
The canonical SMILES for 6-methoxy-7-nitro-2,3-dihydroinden-1-one is COc1ccc2c(c1[N+](=O)[O-])C(=O)CC2.
What is the InChIKey of 6-methoxy-7-nitro-2,3-dihydroinden-1-one?
The InChIKey is VJEWECISSPCJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-15-8-5-3-6-2-4-7(12)9(6)10(8)11(13)14/h3,5H,2,4H2,1H3.
What are the key properties of 6-methoxy-7-nitro-2,3-dihydroinden-1-one?
6-methoxy-7-nitro-2,3-dihydroinden-1-one has a molecular weight of 207.18 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-nitro-2,3-dihydroinden-1-one is sourced from PubChem (CID 11790408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).